4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one

C14H17FN2O3 — CID 81005031

IUPAC4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2(C)C)ccc1F
InChIInChI=1S/C14H17FN2O3/c1-14(2)13(19)16-6-7-17(14)12(18)9-4-5-10(15)11(8-9)20-3/h4-5,8H,6-7H2,1-3H3,(H,16,19)
InChIKeyDPFTYNZETOIIJQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.18
Rot. Bonds2

About 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one

4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 81005031) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
PubChem CID81005031
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2(C)C)ccc1F
InChIInChI=1S/C14H17FN2O3/c1-14(2)13(19)16-6-7-17(14)12(18)9-4-5-10(15)11(8-9)20-3/h4-5,8H,6-7H2,1-3H3,(H,16,19)
InChIKeyDPFTYNZETOIIJQ-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362140
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 63596087
3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
CID 16863762
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81288892
4-(4-fluoro-3-nitrobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63606868
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63608428
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863923
4-(3,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 55218363
4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63744029
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one (CID 81005031) is 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one is COc1cc(C(=O)N2CCNC(=O)C2(C)C)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is DPFTYNZETOIIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(2)13(19)16-6-7-17(14)12(18)9-4-5-10(15)11(8-9)20-3/h4-5,8H,6-7H2,1-3H3,(H,16,19).
What are the key properties of 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 280.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 81005031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).